SCHEMBL340120

SCHEMBL340120

CCN(CC)c1ccc([C+](c2ccc(N(CC)CC)cc2)c2cc(O)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.CCN(CC)c1ccc([C+](c2ccc(N(CC)CC)cc2)c2cc(O)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.[Ca+2]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.37
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
HSP90AA1 P07900 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.34
ESR1 P03372 1/20 0.34
FGFR1 P11362 1/20 0.33
PKLR P30613 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isosulfan Blue Inner Salt SCHEMBL3324345 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL340854 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL126069 0.70 THRB (0.47) MEN1KMT2AALDH1A1MAPTCNR2
SCHEMBL341270 0.70 THRB (0.45) MEN1KMT2AALDH1A1MAPTCNR2
Sulfuric Acid SCHEMBL455054 0.70 HSP90AA1 (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPT
Sulfuric Acid SCHEMBL7234545 0.68 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL1462578 0.66 THRB (0.49) MEN1KMT2AALDH1A1MAPTCNR2
SCHEMBL20740546 0.66 THRB (0.48) MEN1KMT2AALDH1A1MAPTCNR2
SCHEMBL124487 0.66 THRB (0.50) MEN1KMT2AALDH1A1MAPTCNR2
Hydrochloric Acid SCHEMBL1123567 0.66 ALDH1A1 (0.54) MEN1KMT2AALDH1A1L3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716527-A1 A MULTIPLE UNIT ORAL DOSAGE FORM OF DOXYLAMINE SUCCINATE AND PYRIDOXINE HYDROCHLORIDE FREE OF TITANIUM DIOXIDE Italfarmaco SpA (IT) 2026-04-01 EP disclosed
US-20250195439-A1 METHOD FOR TREATING LOCAL LESION DISEASE CHENGDU KUACHANGAOPU MEDICAL TECHNOLOGY CO., LTD. (CN) 2025-06-19 US disclosed
EP-3845247-B1 USE OF AMINO ACID BASED NUTRIENTS AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CHENGDU KUACHANGAOPU MEDICAL TECH CO LTD (CN) 2025-06-04 EP disclosed
EP-4305183-B1 METHODS FOR DELIVERING A CARGO INTO A CELL Trince bv (BE) 2025-05-07 EP disclosed
WO-2024240747-A1 A MULTIPLE UNIT ORAL DOSAGE FORM OF DOXYLAMINE SUCCINATE AND PYRIDOXINE HYDROCHLORIDE FREE OF TITANIUM DIOXIDE ITALFARMACO S.P.A. (IT) 2024-11-28 WO disclosed
EP-4132905-B1 PROCESS FOR SYNTHESIZING SULFONATED TRIARYL METHANE COMPOUNDS PROVEPHARM LIFE SOLUTIONS (FR) 2024-05-15 EP disclosed
EP-4132906-B1 PROCESS FOR SYNTHESIZING SULFONATED TRIARYL METHANE COMPOUNDS PROVEPHARM LIFE SOLUTIONS (FR) 2024-05-15 EP disclosed
US-20240150794-A1 Methods for Delivering a Cargo Into a Cell Trince bv (BE) 2024-05-09 US disclosed
EP-4361127-A2 PROCESS FOR THE SYNTHESIS OF SULFONATED TRIARYLMETHANE COMPOUNDS Provepharm Life Solutions (FR) 2024-05-01 EP disclosed
EP-3691751-B1 DUAL POLYMER COMPONENT HAIR COLORING COMPOSITION WELLA OPERATIONS US LLC (US) 2024-02-14 EP disclosed
WO-2007027132-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ITH IMMUNE THERAPY HOLDINGS AB (SE) 2007-03-08 WO disclosed
EP-1723222-A1 BLEACH ACTIVATORS AND METHOD FOR THE PRODUCTION THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-22 EP disclosed
CN-1842319-A Dye composition and method for examining tooth demineralization damage PROCTER & GAMBLE (US) 2006-10-04 CN disclosed
EP-1655040-A1 Contrast agent formulations for the visualization of the lymphatic system Bracco Imaging, S.P.A. (IT) 2006-05-10 EP disclosed
WO-2006037803-A1 CONTRAST AGENT FORMULATIONS FOR THE VISUALIZATION OF THE LYMPHATIC SYSTEM BRACCO IMAGING SPA (IT) 2006-04-13 WO disclosed
US-20060002850-A1 Radiolabeled lymphatic staining agents and methods for making ISO-TEX DIAGNOSTICS, INC. 2006-01-05 US disclosed
WO-2005087908-A1 BLEACH ACTIVATORS AND METHOD FOR THE PRODUCTION THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-09-22 WO disclosed
US-20050058602-A1 Dye composition and method for detection of demineralized lesions in teeth THE PROCTER & GAMBLE COMPANY 2005-03-17 US disclosed
WO-2003089559-A1 BLUE COLORED LIQUID CRYSTAL COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2003-10-30 WO disclosed
US-6475975-B1 Blue colored liquid crystal compositions COLGATE-PALMOLIVE COMPANY 2002-11-05 US disclosed